# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.12056633
_cell_length_b   42.40071564
_cell_length_c   50.44320504
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.33538110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   46685.4726673
_cell_formula_units_Z   504
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  P  P1  1  0.951658  0.100436  0.386974  1
  P  P2  1  0.508929  0.089289  0.312087  1
  P  P3  1  0.098824  0.090489  0.385396  1
  P  P4  1  0.653676  0.077244  0.311672  1
  P  P5  1  0.233481  0.712923  0.380467  1
  P  P6  1  0.800237  0.700935  0.308765  1
  P  P7  1  0.956809  0.544096  0.409967  1
  P  P8  1  0.524326  0.533978  0.338348  1
  P  P9  1  0.240237  0.538733  0.374329  1
  P  P10  1  0.807698  0.527420  0.302704  1
  P  P11  1  0.866869  0.092191  0.332216  1
  P  P12  1  0.313179  0.104227  0.404368  1
  P  P13  1  0.991621  0.478683  0.381916  1
  P  P14  1  0.559400  0.468658  0.309548  1
  P  P15  1  0.949036  0.718686  0.414809  1
  P  P16  1  0.515491  0.707375  0.343414  1
  P  P17  1  0.090919  0.455424  0.304884  1
  P  P18  1  0.523734  0.468164  0.373673  1
  P  P19  1  0.233467  0.452355  0.288784  1
  P  P20  1  0.665657  0.466183  0.355803  1
  P  P21  1  0.913090  0.524964  0.348711  1
  P  P22  1  0.479689  0.515229  0.278581  1
  P  P23  1  0.917617  0.968249  0.279941  1
  P  P24  1  0.366461  0.977998  0.353677  1
  P  P25  1  0.152474  0.187199  0.287402  1
  P  P26  1  0.597400  0.205137  0.361689  1
  P  P27  1  0.816631  0.905907  0.274509  1
  P  P28  1  0.259556  0.918498  0.343565  1
  P  P29  1  0.883214  0.199519  0.324889  1
  P  P30  1  0.326484  0.212152  0.396479  1
  P  P31  1  0.988053  0.414237  0.418227  1
  P  P32  1  0.423994  0.404978  0.365170  1
  P  P33  1  0.195814  0.518809  0.313018  1
  P  P34  1  0.630147  0.531147  0.384192  1
  P  P35  1  0.878702  0.655188  0.341385  1
  P  P36  1  0.311916  0.666891  0.412597  1
  P  P37  1  0.737617  0.087521  0.366325  1
  P  P38  1  0.286526  0.071769  0.293535  1
  P  P39  1  0.200469  0.041797  0.397989  1
  P  P40  1  0.755982  0.030333  0.324527  1
  P  P41  1  0.125168  0.141699  0.336785  1
  P  P42  1  0.572770  0.154804  0.409723  1
  P  P43  1  0.229035  0.095299  0.349528  1
  P  P44  1  0.783183  0.083223  0.278254  1
  P  P45  1  0.126715  0.651426  0.368786  1
  P  P46  1  0.693170  0.639700  0.297977  1
  P  P47  1  0.133807  0.476037  0.364633  1
  P  P48  1  0.700911  0.465589  0.294133  1
  P  P49  1  0.090124  0.715597  0.396137  1
  P  P50  1  0.657615  0.703637  0.325651  1
  P  P51  1  0.268705  0.649068  0.351134  1
  P  P52  1  0.834674  0.636806  0.281010  1
  P  P53  1  0.901712  0.914104  0.325821  1
  P  P54  1  0.344354  0.924022  0.399446  1
  P  P55  1  0.939680  0.697449  0.291488  1
  P  P56  1  0.374711  0.711026  0.362289  1
  P  P57  1  0.985912  0.027952  0.379430  1
  P  P58  1  0.539321  0.015385  0.305578  1
  P  P59  1  0.058514  0.952592  0.281465  1
  P  P60  1  0.511210  0.964711  0.354134  1
  P  P61  1  0.949454  0.524111  0.286567  1
  P  P62  1  0.382929  0.536303  0.356183  1
  P  P63  1  0.205295  0.604614  0.402123  1
  P  P64  1  0.771913  0.593077  0.330260  1
  P  P65  1  0.168677  0.912656  0.291326  1
  P  P66  1  0.613036  0.918306  0.365024  1
  P  P67  1  0.212223  0.152407  0.391210  1
  P  P68  1  0.766177  0.140303  0.318425  1
  P  P69  1  0.849539  0.480410  0.399447  1
  P  P70  1  0.417468  0.470725  0.328078  1
  P  P71  1  0.948984  0.458778  0.321349  1
  P  P72  1  0.381032  0.469014  0.391982  1
  P  P73  1  0.162749  0.648634  0.305654  1
  P  P74  1  0.596224  0.662648  0.376677  1
  P  P75  1  0.771421  0.527730  0.366060  1
  P  P76  1  0.337582  0.516505  0.295585  1
  P  P77  1  0.709735  0.034173  0.414876  1
  P  P78  1  0.261928  0.022332  0.342186  1
  P  P79  1  0.258428  0.145307  0.300832  1
  P  P80  1  0.702989  0.160033  0.374081  1
  P  P81  1  0.056150  0.586836  0.295690  1
  P  P82  1  0.489710  0.599421  0.366531  1
  P  P83  1  0.012410  0.079831  0.330861  1
  P  P84  1  0.460237  0.092393  0.403779  1
  P  P85  1  0.982454  0.716898  0.351712  1
  P  P86  1  0.406124  0.707557  0.300350  1
  P  P87  1  0.303789  0.646573  0.289021  1
  P  P88  1  0.737799  0.659357  0.358984  1
  P  P89  1  0.031285  0.026707  0.287250  1
  P  P90  1  0.479181  0.037567  0.360572  1
  P  P91  1  0.873562  0.965383  0.371871  1
  P  P92  1  0.424285  0.956303  0.300137  1
  P  P93  1  0.144470  0.086403  0.294416  1
  P  P94  1  0.591853  0.097928  0.367692  1
  P  P95  1  0.161819  0.585209  0.340955  1
  P  P96  1  0.594914  0.596704  0.412492  1
  P  P97  1  0.978297  0.920434  0.383193  1
  P  P98  1  0.531450  0.914585  0.309936  1
  P  P99  1  0.838921  0.038597  0.380049  1
  P  P100  1  0.395889  0.029858  0.304900  1
  P  P101  1  0.037405  0.128938  0.281954  1
  P  P102  1  0.487299  0.142965  0.355391  1
  P  P103  1  0.984968  0.653253  0.387275  1
  P  P104  1  0.550655  0.642931  0.315364  1
  P  P105  1  0.239061  0.200877  0.341876  1
  P  P106  1  0.684668  0.215015  0.416413  1
  P  P107  1  0.028382  0.413832  0.355802  1
  P  P108  1  0.563611  0.404423  0.344248  1
  P  P109  1  0.737000  0.593921  0.394520  1
  P  P110  1  0.301787  0.582009  0.323195  1
  P  P111  1  0.013703  0.201658  0.292984  1
  P  P112  1  0.455194  0.215778  0.362929  1
  P  P113  1  0.850040  0.149841  0.373406  1
  P  P114  1  0.400807  0.131230  0.299769  1
  P  P115  1  1.005210  0.974292  0.336066  1
  P  P116  1  0.450546  0.984601  0.409484  1
  P  P117  1  0.065247  0.163121  0.393218  1
  P  P118  1  0.619555  0.149835  0.319992  1
  P  P119  1  0.727426  0.977380  0.372375  1
  P  P120  1  0.282310  0.971113  0.297291  1
  P  P121  1  0.151339  0.962162  0.336191  1
  P  P122  1  0.598219  0.972924  0.408711  1
  P  P123  1  0.707943  0.483232  0.417194  1
  P  P124  1  0.276202  0.474057  0.347267  1
  P  P125  1  0.170970  0.411583  0.339084  1
  P  P126  1  0.600655  0.421343  0.405476  1
  P  P127  1  0.877910  0.590502  0.376678  1
  P  P128  1  0.443457  0.580031  0.305153  1
  P  P129  1  0.900154  0.018999  0.324881  1
  P  P130  1  0.347199  0.031316  0.397361  1
  P  P131  1  0.044493  0.901843  0.329418  1
  P  P132  1  0.488215  0.913073  0.402243  1
  P  P133  1  0.963322  0.209969  0.379963  1
  P  P134  1  0.510266  0.191390  0.308089  1
  P  P135  1  0.980700  0.152086  0.339277  1
  P  P136  1  0.426274  0.165209  0.411040  1
  P  P137  1  0.923147  0.069051  0.276547  1
  P  P138  1  0.374287  0.082682  0.348585  1
  P  P139  1  0.064078  0.607330  0.420181  1
  P  P140  1  0.630962  0.597022  0.348596  1
  P  P141  1  0.896971  0.143061  0.284105  1
  P  P142  1  0.343343  0.156130  0.354816  1
  P  P143  1  0.807682  0.462192  0.337805  1
  P  P144  1  0.238720  0.471889  0.410301  1
  P  P145  1  0.172515  0.011935  0.287147  1
  P  P146  1  0.625351  0.025383  0.360132  1
  P  P147  1  0.088555  0.980179  0.391438  1
  P  P148  1  0.644066  0.970603  0.317604  1
  P  P149  1  0.843633  0.657057  0.404892  1
  P  P150  1  0.409553  0.644758  0.334212  1
  P  P151  1  0.098574  0.541515  0.392207  1
  P  P152  1  0.665369  0.531106  0.319574  1
  P  P153  1  0.914717  0.590230  0.312418  1
  P  P154  1  0.347203  0.601591  0.384475  1
  P  P155  1  0.790594  0.957436  0.317242  1
  P  P156  1  0.236707  0.968874  0.390308  1
  P  P157  1  0.020068  0.587961  0.358628  1
  P  P158  1  0.585537  0.577555  0.288172  1
  P  P159  1  0.116504  0.034458  0.342921  1
  P  P160  1  0.562772  0.045134  0.416214  1
  P  P161  1  0.021388  0.652955  0.322990  1
  P  P162  1  0.454866  0.665358  0.395091  1
  P  P163  1  0.885544  0.416393  0.371950  1
  P  P164  1  0.452824  0.406567  0.302776  1
  P  P165  1  0.742032  0.419387  0.387355  1
  P  P166  1  0.312887  0.408223  0.323560  1
  P  P167  1  0.055027  0.521778  0.330868  1
  P  P168  1  0.487787  0.533240  0.402210  1
  P  P169  1  0.843579  0.124660  0.531197  1
  P  P170  1  0.397593  0.112619  0.459053  1
  P  P171  1  0.991092  0.114215  0.530444  1
  P  P172  1  0.545289  0.102457  0.457996  1
  P  P173  1  0.099414  0.734517  0.522311  1
  P  P174  1  0.666505  0.723592  0.451490  1
  P  P175  1  0.823410  0.565630  0.552725  1
  P  P176  1  0.390219  0.554640  0.481196  1
  P  P177  1  0.106567  0.560043  0.517058  1
  P  P178  1  0.673621  0.549223  0.445474  1
  P  P179  1  0.758800  0.115826  0.477179  1
  P  P180  1  0.204984  0.127489  0.549714  1
  P  P181  1  0.858463  0.500284  0.524138  1
  P  P182  1  0.425233  0.489338  0.452945  1
  P  P183  1  0.814329  0.740345  0.556923  1
  P  P184  1  0.382435  0.729623  0.486834  1
  P  P185  1  0.954336  0.478300  0.445871  1
  P  P186  1  0.388059  0.488654  0.517088  1
  P  P187  1  0.096638  0.475155  0.427941  1
  P  P188  1  0.530459  0.486279  0.498934  1
  P  P189  1  0.778622  0.546576  0.491422  1
  P  P190  1  0.345479  0.535236  0.419914  1
  P  P191  1  0.811262  0.985656  0.427642  1
  P  P192  1  0.257255  0.997272  0.500414  1
  P  P193  1  0.043730  0.219055  0.435631  1
  P  P194  1  0.489019  0.230808  0.508506  1
  P  P195  1  0.699170  0.926032  0.419903  1
  P  P196  1  0.144539  0.937263  0.493467  1
  P  P197  1  0.772067  0.224931  0.470468  1
  P  P198  1  0.217937  0.236390  0.543577  1
  P  P199  1  0.861279  0.435867  0.559274  1
  P  P200  1  0.424179  0.424946  0.489019  1
  P  P201  1  0.062209  0.541171  0.456058  1
  P  P202  1  0.495446  0.551933  0.527345  1
  P  P203  1  0.745598  0.678268  0.484150  1
  P  P204  1  0.179419  0.689392  0.555142  1
  P  P205  1  0.629646  0.111298  0.512377  1
  P  P206  1  0.183930  0.099686  0.439537  1
  P  P207  1  0.092126  0.064861  0.543547  1
  P  P208  1  0.646410  0.053249  0.470707  1
  P  P209  1  0.018802  0.167275  0.482669  1
  P  P210  1  0.464794  0.178891  0.555441  1
  P  P211  1  0.120473  0.118672  0.495514  1
  P  P212  1  0.674859  0.107045  0.422586  1
  P  P213  1  0.992590  0.673286  0.511929  1
  P  P214  1  0.559738  0.662172  0.440724  1
  P  P215  1  0.999639  0.496726  0.506979  1
  P  P216  1  0.567043  0.486239  0.435162  1
  P  P217  1  0.956506  0.737616  0.539496  1
  P  P218  1  0.523248  0.726381  0.467632  1
  P  P219  1  0.134528  0.670319  0.494111  1
  P  P220  1  0.701565  0.659564  0.422818  1
  P  P221  1  0.787037  0.933739  0.474577  1
  P  P222  1  0.232326  0.945492  0.547452  1
  P  P223  1  0.807556  0.721434  0.433361  1
  P  P224  1  0.240808  0.732197  0.504518  1
  P  P225  1  0.878463  0.051928  0.524030  1
  P  P226  1  0.432477  0.039887  0.451886  1
  P  P227  1  0.957470  0.974827  0.426828  1
  P  P228  1  0.403808  0.986698  0.499364  1
  P  P229  1  0.814972  0.546221  0.427581  1
  P  P230  1  0.248316  0.557027  0.499213  1
  P  P231  1  0.072141  0.626447  0.545040  1
  P  P232  1  0.638941  0.615402  0.473709  1
  P  P233  1  0.058119  0.928157  0.439506  1
  P  P234  1  0.503989  0.939616  0.512615  1
  P  P235  1  0.103319  0.176172  0.537245  1
  P  P236  1  0.657658  0.164492  0.464373  1
  P  P237  1  0.716319  0.502375  0.542360  1
  P  P238  1  0.283466  0.491261  0.471155  1
  P  P239  1  0.812715  0.480389  0.463463  1
  P  P240  1  0.246524  0.490949  0.535002  1
  P  P241  1  0.029533  0.673598  0.448081  1
  P  P242  1  0.463341  0.684158  0.519621  1
  P  P243  1  0.637115  0.549145  0.509375  1
  P  P244  1  0.203916  0.538100  0.438043  1
  P  P245  1  0.601198  0.057502  0.560498  1
  P  P246  1  0.155584  0.045875  0.487570  1
  P  P247  1  0.148219  0.172002  0.447193  1
  P  P248  1  0.593583  0.183912  0.519890  1
  P  P249  1  0.922049  0.609930  0.438032  1
  P  P250  1  0.355541  0.620503  0.509374  1
  P  P251  1  0.906374  0.105078  0.475860  1
  P  P252  1  0.352628  0.116958  0.548220  1
  P  P253  1  0.851877  0.739601  0.494064  1
  P  P254  1  0.414777  0.728680  0.423809  1
  P  P255  1  0.170281  0.670579  0.430278  1
  P  P256  1  0.603912  0.681404  0.501819  1
  P  P257  1  0.923428  0.047589  0.434864  1
  P  P258  1  0.369683  0.059469  0.507223  1
  P  P259  1  0.765563  0.989343  0.517542  1
  P  P260  1  0.319948  0.977331  0.444587  1
  P  P261  1  0.036539  0.109757  0.441255  1
  P  P262  1  0.482518  0.121629  0.513593  1
  P  P263  1  0.027741  0.607520  0.483870  1
  P  P264  1  0.461084  0.618326  0.555502  1
  P  P265  1  0.867626  0.942472  0.530669  1
  P  P266  1  0.422699  0.931165  0.456535  1
  P  P267  1  0.730767  0.062090  0.525087  1
  P  P268  1  0.284964  0.050332  0.452639  1
  P  P269  1  0.934829  0.157711  0.427759  1
  P  P270  1  0.380811  0.169649  0.500263  1
  P  P271  1  0.850824  0.675209  0.530138  1
  P  P272  1  0.417594  0.664263  0.458946  1
  P  P273  1  0.131517  0.227284  0.489616  1
  P  P274  1  0.576887  0.238515  0.563180  1
  P  P275  1  0.893622  0.434924  0.496249  1
  P  P276  1  0.461727  0.424202  0.426161  1
  P  P277  1  0.602436  0.615324  0.537609  1
  P  P278  1  0.169490  0.604504  0.466025  1
  P  P279  1  0.898815  0.228537  0.434972  1
  P  P280  1  0.343844  0.240340  0.507289  1
  P  P281  1  0.741797  0.173516  0.518837  1
  P  P282  1  0.296301  0.162075  0.445876  1
  P  P283  1  0.895246  0.994898  0.482820  1
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  P  P504  1  0.219907  0.577711  0.687393  1
